| SpectraBase Compound ID | 1fZV5kVMkTj |
|---|---|
| InChI | InChI=1S/C10H11N3O3/c1-2-6-11-10(14)12-8-4-3-5-9(7-8)13(15)16/h2-5,7H,1,6H2,(H2,11,12,14) |
| InChIKey | SGCZSRZUTHFVGE-UHFFFAOYSA-N |
| Mol Weight | 221.22 g/mol |
| Molecular Formula | C10H11N3O3 |
| Exact Mass | 221.080041 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BDEr8SHaYkg |
|---|---|
| Name | 1-Allyl-3-(m-nitrophenyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.080041223 u |
| Formula | C10H11N3O3 |
| InChI | InChI=1S/C10H11N3O3/c1-2-6-11-10(14)12-8-4-3-5-9(7-8)13(15)16/h2-5,7H,1,6H2,(H2,11,12,14) |
| InChIKey | SGCZSRZUTHFVGE-UHFFFAOYSA-N |
| Molecular Weight | 221.216 g/mol |
| SMILES | N(C1=CC=CC(=C1)N(=O)=O)C(NCC=C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.850274 |